2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0916 |
| Compound Name: | 2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 576.61 |
| Molecular Formula: | C21 H26 N4 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCCN(C)c2ccc(cc2C(O)=O)NS(c2cccs2)(=O)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7255 |
| logD: | 0.6099 |
| logSw: | -3.4151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.786 |
| InChI Key: | AZFHJCODKUTUBV-UHFFFAOYSA-N |